N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine

C15H27N3O — CID 66151207

IUPACN-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1CCOC1CCCCC1
InChIInChI=1S/C15H27N3O/c1-13(2)17-11-14-10-16-12-18(14)8-9-19-15-6-4-3-5-7-15/h10,12-13,15,17H,3-9,11H2,1-2H3
InChIKeyOPOUIAKKXZRUSD-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.73
Rot. Bonds7

About N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine

N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66151207) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID66151207
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1CCOC1CCCCC1
InChIInChI=1S/C15H27N3O/c1-13(2)17-11-14-10-16-12-18(14)8-9-19-15-6-4-3-5-7-15/h10,12-13,15,17H,3-9,11H2,1-2H3
InChIKeyOPOUIAKKXZRUSD-UHFFFAOYSA-N
XLogP2.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine (CID 66151207) is N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cncn1CCOC1CCCCC1.
What is the InChIKey of N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is OPOUIAKKXZRUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-13(2)17-11-14-10-16-12-18(14)8-9-19-15-6-4-3-5-7-15/h10,12-13,15,17H,3-9,11H2,1-2H3.
What are the key properties of N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine?
N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-cyclohexyloxyethyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66151207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).